(3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one

C25H33NO3Si — CID 15813747

IUPAC(3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H33NO3Si/c1-17(2)30(18(3)4,19(5)6)29-23-22(20-13-9-7-10-14-20)26(25(23)28)24(27)21-15-11-8-12-16-21/h7-19,22-23H,1-6H3/t22-,23+/m0/s1
InChIKeyRKMPTVJJXUTDCL-XZOQPEGZSA-N
MW423.63 g/mol
LogP5.97
Rot. Bonds7

About (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 15813747) has the molecular formula C25H33NO3Si and a molecular weight of 423.63 g/mol. Its IUPAC name is (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID15813747
Molecular FormulaC25H33NO3Si
Molecular Weight423.63 g/mol
Exact Mass423.22
IUPAC Name(3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H33NO3Si/c1-17(2)30(18(3)4,19(5)6)29-23-22(20-13-9-7-10-14-20)26(25(23)28)24(27)21-15-11-8-12-16-21/h7-19,22-23H,1-6H3/t22-,23+/m0/s1
InChIKeyRKMPTVJJXUTDCL-XZOQPEGZSA-N
XLogP5.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 15813747) is (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is RKMPTVJJXUTDCL-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H33NO3Si/c1-17(2)30(18(3)4,19(5)6)29-23-22(20-13-9-7-10-14-20)26(25(23)28)24(27)21-15-11-8-12-16-21/h7-19,22-23H,1-6H3/t22-,23+/m0/s1.
What are the key properties of (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 423.63 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzoyl-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 15813747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).